2-(2-cyanophenyl)sulfanyl-N-(2,2-dimethylpropyl)benzamide

C19H20N2OS — CID 17139487

IUPAC2-(2-cyanophenyl)sulfanyl-N-(2,2-dimethylpropyl)benzamide
SMILESCC(C)(C)CNC(=O)c1ccccc1Sc1ccccc1C#N
InChIInChI=1S/C19H20N2OS/c1-19(2,3)13-21-18(22)15-9-5-7-11-17(15)23-16-10-6-4-8-14(16)12-20/h4-11H,13H2,1-3H3,(H,21,22)
InChIKeyZKKLUNBFRFYCAK-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.49
Rot. Bonds4

About 2-(2-cyanophenyl)sulfanyl-N-(2,2-dimethylpropyl)benzamide

2-(2-cyanophenyl)sulfanyl-N-(2,2-dimethylpropyl)benzamide (PubChem CID 17139487) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-(2-cyanophenyl)sulfanyl-N-(2,2-dimethylpropyl)benzamide.

Molecular Properties

Compound Name2-(2-cyanophenyl)sulfanyl-N-(2,2-dimethylpropyl)benzamide
PubChem CID17139487
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name2-(2-cyanophenyl)sulfanyl-N-(2,2-dimethylpropyl)benzamide
SMILESCC(C)(C)CNC(=O)c1ccccc1Sc1ccccc1C#N
InChIInChI=1S/C19H20N2OS/c1-19(2,3)13-21-18(22)15-9-5-7-11-17(15)23-16-10-6-4-8-14(16)12-20/h4-11H,13H2,1-3H3,(H,21,22)
InChIKeyZKKLUNBFRFYCAK-UHFFFAOYSA-N
XLogP4.49
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2-(2-cyanophenyl)sulfanylbenzamide
CID 36711444
N-[(2S)-butan-2-yl]-2-(2-cyanophenyl)sulfanylbenzamide
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2-(2-cyanophenyl)sulfanyl-N-phenylbenzamide
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2-(2-cyanophenyl)sulfanyl-N-(3-phenylsulfanylpropyl)benzamide
CID 38769783
2-(2-cyanophenyl)sulfanyl-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 33091613
2-(2-cyanophenyl)sulfanyl-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 9118288
2-(2-cyanophenyl)sulfanyl-N-(pyridin-3-ylmethyl)benzamide
CID 31807328
2-(2-cyanophenyl)sulfanyl-N-(3,5-dimethylphenyl)benzamide
CID 43008037
3-[[2-(2-cyanophenyl)sulfanylbenzoyl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55784676
2-(2-cyanophenyl)sulfanyl-N-[2-(2,4,6-trimethylphenoxy)ethyl]benzamide
CID 2195049
2-cyano-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
CID 111825762
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CID 55742348

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)sulfanyl-N-(2,2-dimethylpropyl)benzamide?
The IUPAC name of 2-(2-cyanophenyl)sulfanyl-N-(2,2-dimethylpropyl)benzamide (CID 17139487) is 2-(2-cyanophenyl)sulfanyl-N-(2,2-dimethylpropyl)benzamide.
What is the SMILES notation for 2-(2-cyanophenyl)sulfanyl-N-(2,2-dimethylpropyl)benzamide?
The canonical SMILES for 2-(2-cyanophenyl)sulfanyl-N-(2,2-dimethylpropyl)benzamide is CC(C)(C)CNC(=O)c1ccccc1Sc1ccccc1C#N.
What is the InChIKey of 2-(2-cyanophenyl)sulfanyl-N-(2,2-dimethylpropyl)benzamide?
The InChIKey is ZKKLUNBFRFYCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-19(2,3)13-21-18(22)15-9-5-7-11-17(15)23-16-10-6-4-8-14(16)12-20/h4-11H,13H2,1-3H3,(H,21,22).
What are the key properties of 2-(2-cyanophenyl)sulfanyl-N-(2,2-dimethylpropyl)benzamide?
2-(2-cyanophenyl)sulfanyl-N-(2,2-dimethylpropyl)benzamide has a molecular weight of 324.45 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenyl)sulfanyl-N-(2,2-dimethylpropyl)benzamide is sourced from PubChem (CID 17139487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).